SCHEMBL6561361

SCHEMBL6561361

C[n+]1ccccc1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 3/20 0.54
PABPC1 P11940 1/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
GSK3B P49841 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
USP2 O75604 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL5949473 0.98 L3MBTL1 (0.53) L3MBTL1MAPTPABPC1NPC1RAB9A
SCHEMBL6342237 0.91 MAPT (0.46) L3MBTL1MAPTPABPC1NPC1RAB9A
SCHEMBL6562435 0.86 NPC1 (0.50) L3MBTL1MAPTNPC1RAB9AKDM4E
Iodide SCHEMBL5949437 0.84 NPC1 (0.49) L3MBTL1MAPTNPC1RAB9AKDM4E
SCHEMBL2562144 0.84 SMN1; SMN2 (0.47) L3MBTL1MAPTNPC1RAB9AALDH1A1
Iodide SCHEMBL5948853 0.83 SMN1; SMN2 (0.46) L3MBTL1MAPTNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL3028583 0.83 SMN1; SMN2 (0.46) L3MBTL1MAPTNPC1RAB9AALDH1A1
SCHEMBL11615970 0.83 MAPT (0.56) L3MBTL1MAPTPABPC1NPC1RAB9A
SCHEMBL6561467 0.82 HAO1 (0.42) L3MBTL1MAPTNPC1RAB9AKDM4E
SCHEMBL6560757 0.82 MAPT (0.47) MAPTNPC1RAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1050531-B1 Pyridine and piperidine derivatives for treating neurodegenerative diseases SERVIER LAB (FR) 2004-11-17 EP disclosed
EP-1050531-A1 Pyridine and piperidine derivatives for treating neurodegenerative diseases ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed